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benchmarks/RPA: fix READMEs
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shoshijak authored and oschuett committed Jan 13, 2020
1 parent 8e9f61f commit 7ffa4e9
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4 changes: 2 additions & 2 deletions benchmarks/QS_mp2_rpa/128-H2O/README.md
Expand Up @@ -13,8 +13,8 @@


## How to Run the Benchmark ## How to Run the Benchmark


1) run `H2O-128-PBE-TZ.inp`, this will generate the file `H2O-128-PBE-TZ-RESTART.wfn`, necessary for the other two runs. 1) run `H2O-128-PBE-TZ.inp`: this will generate the file `H2O-128-PBE-TZ-RESTART.wfn`, necessary for the benchmark run.
3) run `H2O-128-RI-dRPA-TZ.inp` for RI-dRPA 2) run `H2O-128-RI-dRPA-TZ.inp` for the RI-RPA benchmark.


## Results ## Results


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5 changes: 3 additions & 2 deletions benchmarks/QS_mp2_rpa/32-H2O/README.md
Expand Up @@ -18,8 +18,9 @@ the additional files [`t_c_g.dat`](../../../data/t_c_g.dat) and [`POTENTIAL`](..


## How to Run the Benchmark ## How to Run the Benchmark


1) run `RI-MP2.inp` 1) run `H2O-32-PBE-TZ.inp`: this will generate the file `H2O-32-PBE-TZ-RESTART.wfn`, necessary for the two benchmark runs.
2) run `RI-RPA.inp` 2) run `H2O-32-RI-MP2-TZ.inp` for the RI-MP2 benchmark.
3) and/or run `H2O-32-RI-dRPA-TZ.inp` for the RI-RPA benchmark.


## Results ## Results


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6 changes: 3 additions & 3 deletions benchmarks/QS_mp2_rpa/64-H2O/README.md
Expand Up @@ -16,9 +16,9 @@ the additional files [`t_c_g.dat`](../../../data/t_c_g.dat) is needed for the RI


## How to Run the Benchmark ## How to Run the Benchmark


1) run H2O-64-PBE-TZ.inp, this will generate the file H2O-64-PBE-TZ-RESTART.wfn, necessary for the other two runs. 1) run `H2O-64-PBE-TZ.inp`: this will generate the file `H2O-64-PBE-TZ-RESTART.wfn`, necessary for the two benchmark runs.
2) run H2O-64-RI-MP2-TZ.inp for RI-MP2 2) run `H2O-64-RI-MP2-TZ.inp` for the RI-MP2 benchmark.
3) run H2O-64-RI-dRPA-TZ.inp for RI-dRPA 3) and/or run `H2O-64-RI-dRPA-TZ.inp` for the RI-RPA benchmark.


## Results ## Results


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